Show Posts
1
General Questions and Answers / The direction of effective mass analysis
« on: August 16, 2023, 09:07 »
Hi, everyone
I saw that the two directions for calculating the effective mass in this tutorial are (101) and (110), and I think 101 is due to the fact that the X point is (1/2 0 1/2) in the article High-throughput electronic band structure calculations: Challenges and tools (DOI: 10.1016/j.commatsci.2010.05.010), but I can't understand the choice of the other direction, because the effective mass is related to the bandstructrue., so I think we should take the coordinates of the point L,since it is another point close to Γ. So it's 1/2, 1/2, 1/2 in fractional coordinates, it's 1, 1, 1.
If I understand wrong, please point out my problem, I will be very grateful.Thank you very much.
I saw that the two directions for calculating the effective mass in this tutorial are (101) and (110), and I think 101 is due to the fact that the X point is (1/2 0 1/2) in the article High-throughput electronic band structure calculations: Challenges and tools (DOI: 10.1016/j.commatsci.2010.05.010), but I can't understand the choice of the other direction, because the effective mass is related to the bandstructrue., so I think we should take the coordinates of the point L,since it is another point close to Γ. So it's 1/2, 1/2, 1/2 in fractional coordinates, it's 1, 1, 1.
If I understand wrong, please point out my problem, I will be very grateful.Thank you very much.